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Organics Handbook www.fiatalba.it

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Page 1: Organics Handbook - fiatalba.it · ing Grignard reagents, organolithium, and organotin, organozinc, and organoaluminium compounds. • rE agEntS in Solution: Commonly used reactive

Organics Handbook

www.fiatalba.it

Page 2: Organics Handbook - fiatalba.it · ing Grignard reagents, organolithium, and organotin, organozinc, and organoaluminium compounds. • rE agEntS in Solution: Commonly used reactive

Featuring Acros Organics and Maybridge products

It offers a comprehensive portfolio of essential chemicals, functional reagents, and organic building blocks to meet the evolving needs of organic and medicinal chemists in the fields of research and development and drug discovery. Our heritage of quality, packaging innovation and new product development has made us the brands scientists trust for their organics and fine chemicals needs.

The broad ranging producT porTfolio offers The organic chemisT greaTer convenience

producT range and service organics porTfolio (including acros organics brand and maybridge brand)

preparation, purification and analysis

More than 1,500 basics such as acids, bases, inorganic salts, and chromatography products for daily use.

building blocks Over 10,000 building blocks for synthetic organic chemistry as well as over 5,000 pharmacophorically relevant building blocks for drug discovery.

functional reagents Over 1,500 reagents for functional group transformation.

biochemicals and reagents About 1,000 organic compounds for use in biology and or biochemistry applications.

screening library A highly diverse set of over 55,000 compounds with either hit-like and lead-like properties.

customer Weighing Building blocks and screening compounds weighed to customers specific requirements in a wide variety of formats.

custom synthesis and medicinal chemistry service Custom synthesis of building blocks and small to medium screening library design and synthesis.

www.acros.com

We are pleased to introduce the

Organics Handbook

This organics handbook feaTures: Combined Acros Organics products and Maybridge building blocks•Over 20,000 chemicals with 40,000 listings• More than 2,000 new products and 6,000 new packsizes•Easy-to-use square-style pages• AcroSeal Packaging: the industry leading packaging for air and •moisture sensitive reagents Fisher Chemical industry leading Optima LC-MS grade solvents•Application guides and literature citations•Enhanced SKU and packaging information•

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Page 3: Organics Handbook - fiatalba.it · ing Grignard reagents, organolithium, and organotin, organozinc, and organoaluminium compounds. • rE agEntS in Solution: Commonly used reactive

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Featuring Acros Organics and Maybridge products

Table of contents how to order

orderingThere is no minimum order size at Acros Organics. All orders are wel-come. Written confirmation of a telephone order is not required. How-ever, if you need to send a confirmation order, please mark clearly with “confirmation”.

pricesAll prices in our catalogue are mentioned in local currency, ex-works and are exclusive of VAT.

For the latest price information contact our customer service.

shipmenT informaTionOrders are shipped in principle on the day that we receive them. If you have special requirements, please mention this clearly on your order.

reTurned goods procedurePlease contact your sales office before sending goods back to us. Acros Organics will not accept returned goods without prior approval of our sales department.

Please ask our customer service for a ‘Return Goods Authorisation’. A ‘Return Goods Authorisation’ form will be sent to you, together with the relevant documentation. This from needs to be added to the shipment.

If you placed a wrong order or want to return products, we have to ask for a “restocking fee”. Transport costs are also at your expense in that case. Under no circumstance must chemicals be posted.

cold packWe are able to pack products that need to be kept at a low tempera-ture in a so-called “cold pack”; If you want your products sent to you in a cold pack, please mention this on your order. Please contact your customer service for additional charges.

Table of Contents & How to order ............................................ A1

AcroSeal® ..................................................................................... A2

AcroSeal® Product Range ......................................................... A3

Fisher Chemical Optima LC/MS Products Benefits ............... A4

Fisher Chemical Optima LC/MS Products List ....................... A5

Quality management....................................................................A6

Specifications ...............................................................................A7

Key to chemical listings ..............................................................A8

Alphabetical section........................................................... 1 - 1890

Molecular formula ....................................................... 1891 - 1982

CAS index ...................................................................... 1983 - 2018

Product number index ................................................. 2019 - 2036

MFCD index .................................................................... 2037 - 2068

Security information ..................................................... 2069 - 2072

Technical information .................................................. 2073 - 2106

contact your local distributor.

For a complete and up-to-date list of distributors, please go to our website www.acros.com

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Page 4: Organics Handbook - fiatalba.it · ing Grignard reagents, organolithium, and organotin, organozinc, and organoaluminium compounds. • rE agEntS in Solution: Commonly used reactive

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acroseal®

acroseal® packaging: The soluTion for air and moisTure sensiTive reagenTsAcroSeal packaging is the industry-leading packaging for air and moisture sensitive reagents. The AcroSeal packaging is designed to deliver the best performance among the comparable packag-ings in the marketplace.The innovative quadrant style screw cap with the specially designed septum provides:

• convenience: large surface area with easy access to large amount of products.

• Quality: the specially designed multi-layer septum ensures better re-seal.

• performance: reduces the rate of moisture uptake by up to 50% compared to the competitive packaging.

• safety: minimizes the potential needle puncture-related incidents

The key features and benefits of acroseal packaging can be most demonstrated for the extra dry solvents:

reliabiliTy: AcroSeal packaging uses a specially designed, multi-layer septum consisting of a sandwich of three layers of engineering polymer material - an inner silicone layer surrounded by PTFE resin layers. The thickness of AcroSeal septum is twice as much as that of the septum used in the competitive brand packaging. The thick inner silicone layer allows for better reseal-ing around needle punctures. The outer PTFE layers ensure the chemical compatibility of the septum material with the reagents.

inTegriTy: AcroSeal closure system features a quadrant-style cap design that holds the septum in place, reducing the risk of bulg-ing or deformation mechanically or through use over time. AcroSeal

packaging has a tamper evident seal to assure that the bottle is vis-ibly unopened and the quality has not been compromised.

convenience: AcroSeal packaging is designed to provide a larger surface area available for syringe punctures, providing more than 15 times the surface area than the septum of the competing brand. The larger surface area makes it possible to avoid repeated puncture in the same spot over time, therefore reducing the risk of deformation and providing better resealing.

The AcroSeal packaging screw closure allows not only syringe withdrawal of a reagent through the septum but also permits ready access to a larger volume of the solvent with the option to reseal the closure by hand. By contrast, the competing brand has a crimp cap design, meaning that the reagent within is only accessible with a syringe unless a special tool is used. Once de-crimped, the cap cannot be replaced.

safeTy: Because the use of the products involve syringe and needles, it is important that the packaging is designed in such away that the potential risk of needle puncture can be minimized. AcroSeal packaging requires 40% less force to puncture through the septum than the competitive brand packaging. The greater the force required to puncture through the septum, the more likely for needle puncture-related accidents to occur.

performance: Moisture uptake studies have shown that overall the AcroSeal packaging with its particular closure design appears to allow a slower rate of moisture uptake than the famil-iar competing brand’s closure design.

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Page 5: Organics Handbook - fiatalba.it · ing Grignard reagents, organolithium, and organotin, organozinc, and organoaluminium compounds. • rE agEntS in Solution: Commonly used reactive

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acroseal® product range

• ExtraDrySolvEntS: a wide range of solvents in three different grades with moisture content of less than 50ppm at the time of packing• StandardGrade:Suitableformostoftheapplications.• MolecularSievesGrade:Storedovermolecularsievesfor

prolonged shelf life.• SupremeGrade:Filteredthrough0.2microfiltersfordust-

free applications.

• organomEtalliccompounDS: Broad selection includ-ing Grignard reagents, organolithium, and organotin, organozinc, and organoaluminium compounds.

• rEagEntSinSolution:Commonly used reactive reagents and corrosive gaseous reagents in the ready to use solutions. Key products include boranes, hydrides, organic bases and Lewis acids. AcroSeal Packaging reduces the hazard of handling and improves the safety of using the products.

cushioning liner in outer protective cap.Re-seals perfectly even after the septum has been punctured multiple times.

rim design at the inner surface of the septum holding quadrant cap will hold and stretch the septum. Reduces the risk of bulging or deformation of the septum.

Three-plus windings in the septum holding cap for extra security. Large contact surface prevents infiltration of air and moisture through the screw neck.

special rim design inside the septum holding cap fits snugly over the glass rim of the bottle neck.No risk of accidentally unscrewing the septum holding quadrant cap.

Tamper-evident break ring at the lower end of the protective red cap. Foolproof guarantee that the customer is the first to open the bottle. The lower ring breaks off with the first opening of the red cap.

Triple sandwich septum with inner silicone layer and double outer pTfe resin coating.Better chemical compatibility and re-closure of any puncture hole.

Quadrant cap surface.The quadrant cap promotes the durability of the septum because punctures can be spread over the large septum surface.

• DEutEratEDnmrSolvEntS: Offers a low cost alterna-tive to ampoule packaging

• organicS: Selective air/moisture sensitive organics

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Page 6: Organics Handbook - fiatalba.it · ing Grignard reagents, organolithium, and organotin, organozinc, and organoaluminium compounds. • rE agEntS in Solution: Commonly used reactive

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fisher chemical optima lc/ms products benefits

opTima lc/ms producTsThe joining of liquid chromatog-raphy (LC) with mass spectrom-etry (MS) has become an indispensable tool for various fields of research. The value of LC/MS derives from its ability to com-bine separation chemistry with selective mass ion detection. As instrumentation advances lead to ever-lower analyte detection limits, it is crucial for the chromatographer to consider the level of purity when selecting appropriate solvents for use in the LC/MS mobile phase. The Fisher Chemical product line offers superior high-purity solvents designed to meet the required purity level of advanced LC/MS systems.

ulTra-high puriTy for more reliable analysis and cosT savings• VerylowmassnoiselevelcontributedbyOptimaLC/MSSolventsfor

both positive and negative modes in total ion chromatography (TIC)• Lowlevelsoftracemetals-includingalkalineearthmetals,which

can interfere with MS ionization and MS interpretation• Longercolumnlife-duetominimalimpuritiesinthemobilephase• Lowresidue-clog-freeoperationofLC/MSsystemduetothe

absence of particles

manufacTured and TesTed To The highesT sTandards To ensure Trouble-free analysis• TestedspecificallyforLC/MSandLC/UVapplications• Stringentmetaliontesting• Assayedforfreeacid/alkali,nonvolatilematter,andotherelements

accuraTe daTa and reproducible performance• Minimalmetalmassadductformationforbetteranalyteidentification• Smooth,flatbaselinesfromlowsolventbackgroundsusingdiode

array detector and mass spectrometry detector (MSD)

• Highionizationefficiencyofmassspectrometry• Solventpurityconsistentfromlottolot• Proprietarymanufacturingprocesstoensurethehighestquality

of the product

specificaTions and chromaTographic daTaOptima LC/MS Solvents have the lowest diode array detector (DAD) background with least drifting baseline; lowest mass spec-trometry detector (MSD) noise level for both positive and negative modes in total ion chromatography (TIC); lowest metal ion content for many common elements; and lowest UV absorbances.

cross-references To compeTiTor producTsacetonitrile

1L 2.5L 4LFisher Chemical A955-1 A955-212 A955-4EMD AX0156-6 NA AX0156-1Merck 1000291000 1000292500 NAJ.T. Baker 9829-2 NA 9829-3Sigma-Aldrich 34967-1L 34967-2.5L 34967-4x4LBiosolve 12041 NA NA

methanol1L 2.5L 4L

Fisher Chemical A456-1 A456-212 A456-4EMD MX0486-6 NA MX0496-6Merck 1060351000 1060352500 NAJ.T. Baker 9830-2 NA 9830-3Sigma-Aldrich 34966-1L 34966-2.5L 34966-4x4LBiosolve 136841 NA NA

2-propanol1L 2.5L 4L

Fisher Chemical A461-1 A461-212 A461-4J.T. Baker 9627-2 NA 9627-3Sigma-Aldrich 34965-1L 34965-2.5L NABiosolve 162641 NA 162641

Water1L 2.5L 4L

Fisher Chemical W6-1 W6-212 W6-4EMD WX0001-6 NA WX0001-1J.T. Baker 9831-2 NA 9831-3Sigma-Aldrich 39253-1L NA 39253-4x4LBiosolve 232141 NA NA

For more information, including a white paper titled ‘Optimizing Mobile Phase Solvent Purity for LCMS,’ go to www.FisherLCMS.com

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Page 7: Organics Handbook - fiatalba.it · ing Grignard reagents, organolithium, and organotin, organozinc, and organoaluminium compounds. • rE agEntS in Solution: Commonly used reactive

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fisher chemical optima lc/ms products list

opTima lc/ms aceToniTrile a955Assay (by GC), min 99.9%

optical abs, wavelength, nm

au max

280 0.005254 0.005230 0.01225 0.015220 0.015215 0.025210 0.03205 0.04200 0.05195 0.15190 1.00

lc/ms gradient suitability, nm

single max peak (au)

254 0.0005210 0.002

LC/MS at Positive Mode Max

50ppb Reserpine

LC/MS at Negative Mode Max

50ppb Aldicarb

Water (KF) % 0.01Residue after Evaporation, ppm Max

0.8

Trace ionic impurities ppb, maxAluminum (Al) 25Barium (Ba) 5Cadmium (Cd) 5Calcium (Ca) 25Chromium (Cr) 5Cobalt (Co) 5Copper (Cu) 5Iron (Fe) 5Lead (Pb) 5Manganese (Mn) 5Magnesium (Mg) 10Nickel (Ni) 5Potassium (K) 10Silver (Ag) 5Sodium (Na) 50Tin (Sn) 5Zinc (Zn) 10

Titratable Acid,mEQ/g 0.008Titratable Base, mEQ/g 0.0006

opTima lc/ms 2-propanol a461Assay 99.9%

Color (APHA), Max 5

optical abs, wavelength, nm

au max

254 0.005230 0.05220 0.1210 0.4

LCMS Suitability Pass Test

Water (KF) % 0.05

Residue after Evaporation, ppm, Max

1

Titratable Acid or Base meq/g

0.0001

Trace ionic impurities ppb, maxAluminum (Al) 10Calcium (Ca) 10Copper(Cu) 5Iron (Fe) 5Lead (Pb) 5Magnesium (Mg) 5Manganese (Mn) 5Nickel (Ni) 5Potassium (K) 10Silver (Ag) 5Sodium (Na) 50Zinc (Zn) 10

opTima lc/ms meThanol a456Assay (by GC), min 99.9%

optical abs, wavelength, nm

au max

280 0.005260 0.005254 0.01230 0.1220 0.2214 0.4210 0.5

lc/ms gradient suitability, nm

single max peak (au)

254 0.001220 0.005

LC/MS at Positive Mode Max

50ppb Reserpine

LC/MS at Negative Mode Max

50ppb Aldicarb

Water (KF) % 0.02Residue after Evaporation, ppm, Max

1

Trace ionic impurities ppb, maxAluminum (Al) 10Barium (Ba) 10Cadmium (Cd) 10Calcium (Ca) 20Chromium (Cr) 10Cobalt (Co) 10Copper (Cu) 10Iron (Fe) 10Lead (Pb) 10Magnesium (Mg) 10Manganese (Mn) 10Nickel (Ni) 10Potassium (K) 10Silver (Ag) 10Sodium (Na) 50Tin (Sn) 10Zinc (Zn) 10

Titratable Acid,mEQ/g 0.0003Titratable Base, mEQ/g 0.0002

opTima lc/ms WaTer W6

optical abs, wavelength, nm

au max

280 0.005260 0.005254 0.005240 0.01230 0.01220 0.01210 0.01

lc/ms gradient suitability, nm

single max peak (au)

254 0.0005210 0.005

Protease Not DetectedLC/MS at Positive Mode Max

50ppb Reserpine

LC/MS at Negative Mode Max

50ppb Aldicarb

Residue after Evaporation, ppm, Max

1

Trace ionic impurities ppb, maxAluminum (Al) 10Barium (Ba) 10Cadmium (Cd) 10Calcium (Ca) 20Chromium (Cr) 10Cobalt (Co) 10Copper (Cu) 10Iron (Fe) 10Lead (Pb) 10Magnesium (Mg) 10Manganese (Mn) 10Nickel (Ni) 10Potassium (K) 10Silver (Ag) 10Sodium (Na) 20Tin (Sn) 10Zinc (Zn) 10Total Halogens (as chloride) Not Detected

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Page 8: Organics Handbook - fiatalba.it · ing Grignard reagents, organolithium, and organotin, organozinc, and organoaluminium compounds. • rE agEntS in Solution: Commonly used reactive

www.acros.comA6

Quality management

puriTy of our producTsour priority is quality. All products in this reference handbook have been subjected to meticulous purity analysis in our QC laboratories.The quality assays, purity levels and analytical values, and physico-chemical data, represent typical values. Values listed are valid at the time of going to press only.

validiTy of producT and QualiTy specificaTionsSpecifications and typical values are subject to change during the reference handbook’s period of validity. If you need the latest specifications or actual analytical profile or our products, we recom -mend checking our website, or requesting these at any time from your local customer service office.

cerTificaTes of analysis and specificaTion sheeTsIf you wish to check the actual purity of a given batch, request a certificate of analysis from our website. You can also find on acros.com a feature to download a copy of the latest version of our specification sheets.

special gradesProducts which are documented with a quality description such as Pharmacopoeia, for Analysis, for HPLC, for NMR, for Biochem-istry, were tested according to more specific and defined chemi-cal criteria. We do NOT test for the referred to application itself, e.g. as a pharmaceutical raw material.

The tests performed in our Qc laboratories confirm that our prod-ucts meet all the specific chemical quality criteria you will find on our Certificates of Analysis, but do not imply that such products are always fit for a specific use. Fitness for any particular use remains the responsibility of the customer. Acros Organics and Maybridge branded products are marketed for research use only.

ExpirationDatESAcros Organics and Maybridge branded products are subject to regular inspection and, as long as we carry inventory, will be internally subject to re-testing at periodic intervals. Most of our products maintain their original quality well beyond such re-testing period. We therefore do not assign expiration dates on our Certificates of Analysis. In case you need a ‘best before’ or ‘use by’ date, please contact your local customer service office.

Available from www.acros.com

clear overview

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Page 9: Organics Handbook - fiatalba.it · ing Grignard reagents, organolithium, and organotin, organozinc, and organoaluminium compounds. • rE agEntS in Solution: Commonly used reactive

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specifications

specificaTions for special applicaTions :extra dry : Extra dry solvents with water content of 50

ppm or lower at the time of manufacture, filtered over 0.2 micron PTFE filter and filled er inert gas.

extra dry over molecular sieves :

Extra dry solvents with water content of 50 ppm or lower at the time of manufac-ture, filled under inert gas and stored over molecularsieveforenduringshelflife.

for peptide synthesis :

Very pure and dry quality for usage in peptide synthesis.

for biochemistry :

Products are suitable for applications in biochemistry. Relevant parameters for this application are specified.

for molecular biology :

In addition to the parameters of the “Bio-chemistry” grade, specifications include the absence of DNAse, RNAse and Proteases.

for spectroscopy :

The solvents show a very low absorption in the UV or IR spectrum and a high purity.

for residue analysis :

Solvents used for the analysis of polyaro-matic hydrocarbons, halogen containing pesticides and other residues.

for nmr : Deuterium labeled compounds and solvents for NMR spectroscopy.

for hplc : Suitable for HPLC due to low absorption in UV, low residue of evaporation and other parameters.

for hplc gradient grade :

A gradient analysis is part of the specifica-tion in addition to the parameters used for the “HPLC” grade.

for electronic use :

A special dust- and residue- free quality for applications in the electronic industry.

for aas : A special quality for use in atom-absorption spectroscopy

The majority of our Essentials are available in various qualities. The table below summarizes the different grades listed in this ref-erence handbook.

specificaTions for chemical synThesis :pure : Basic specification, suitable for chemical

synthesis and general laboratory work.

extra pure : Extended specifications for exacting chemical synthesis.

for analysis : Widest range of specifications for chemi-cal synthesis and analysis, often desig-nated “p.a.”.

for analysis acs :

The specification complies with the recom-mendations of the American Chemical Society

detailed specifications

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Page 10: Organics Handbook - fiatalba.it · ing Grignard reagents, organolithium, and organotin, organozinc, and organoaluminium compounds. • rE agEntS in Solution: Commonly used reactive

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key to chemical listings

A new page layout was created to allow you to make searching and browsing through the Reference Handbook easier. The same type of product data is shown in the same position for every product.

Depending on the type of product (Building Block, Laboratory Essential or Functional Reagent) the product name, the physical and chemical data, the safety and storage data, the specifica-tions and the possible applications are shown.

* chemical and physical properTiesThe following physical and chemical information are given :bp : boilling point in °C at 760 mmHg unless a different pressure is specifiedmp : melting point in °Cfp : flashpointin°Cd : density in g/ml [a]20

d : specific optical rotation measured at 20°C with light having the frequency of the sodium D line

n20d : refractive index measured at 20°C with light having the frequency

of the sodium D line

inDExESProducts are indexed in this reference handbook by CAS, MFCD, product number and molecular formula. These indexes can be found after the alphabetical listing at the end of this reference handbook.

for more informaTion abouT The journals Consult the dedicated pages “Table of abbreviations” and “Abbre-viations for scientific journals used in the application guide” at the end of this reference handbook.

application guide with transformation index and literature references

8

421

3Ordering

and packing information

Chemical and physical

properties*

Typical specifications

Synonym with reference to the listing in the alphabetic section

Safety and storage information

Brand name

Product description1 Product name2 Typical purity3 Product description4 Chemical grade

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